methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate

C17H18ClN3O3 — CID 167572425

IUPACmethyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(Oc2ccc(N3CCCCC3)nc2)c1
InChIInChI=1S/C17H18ClN3O3/c1-23-17(22)12-9-14(18)20-16(10-12)24-13-5-6-15(19-11-13)21-7-3-2-4-8-21/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyGBRYVUCHRIIYKW-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.70
Rot. Bonds4

About methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate

methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate (PubChem CID 167572425) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate
PubChem CID167572425
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Namemethyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(Oc2ccc(N3CCCCC3)nc2)c1
InChIInChI=1S/C17H18ClN3O3/c1-23-17(22)12-9-14(18)20-16(10-12)24-13-5-6-15(19-11-13)21-7-3-2-4-8-21/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyGBRYVUCHRIIYKW-UHFFFAOYSA-N
XLogP3.70
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-6-[(5-fluoro-6-piperazin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate
CID 146243631
tert-butyl 4-[5-[[6-(3-chloro-5-fluorophenyl)-4-methoxycarbonyl-2-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxylate
CID 146251789
methyl 2-chloro-6-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrimidin-5-yl]oxypyridine-4-carboxylate
CID 146241669
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
tert-butyl N-[1-[5-[[6-chloro-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-yl]carbamate
CID 146251901
methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate
CID 155783124
tert-butyl 4-(6-chloro-4-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229586
methyl 2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-4-carboxylate
CID 126600693
methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586
methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 154752871
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate (CID 167572425) is methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate is COC(=O)c1cc(Cl)nc(Oc2ccc(N3CCCCC3)nc2)c1.
What is the InChIKey of methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate?
The InChIKey is GBRYVUCHRIIYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-23-17(22)12-9-14(18)20-16(10-12)24-13-5-6-15(19-11-13)21-7-3-2-4-8-21/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate?
methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate has a molecular weight of 347.80 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate is sourced from PubChem (CID 167572425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).